(4aR,4bS)-9-[2-[(3R)-3-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene

C22H30 — CID 59082182

IUPAC(4aR,4bS)-9-[2-[(3R)-3-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESC[C@@H]1CCC(C(C)(C)C2C3C=CC=C[C@H]3[C@H]3C=CC=CC23)C1
InChIInChI=1S/C22H30/c1-15-12-13-16(14-15)22(2,3)21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,15-21H,12-14H2,1-3H3/t15-,16?,17-,18+,19?,20?,21?/m1/s1
InChIKeyWIPFVMZZQNFNBP-AXPDYGELSA-N
MW294.48 g/mol
LogP5.80
Rot. Bonds2

About (4aR,4bS)-9-[2-[(3R)-3-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene

(4aR,4bS)-9-[2-[(3R)-3-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (PubChem CID 59082182) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is (4aR,4bS)-9-[2-[(3R)-3-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.

Molecular Properties

Compound Name(4aR,4bS)-9-[2-[(3R)-3-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
PubChem CID59082182
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name(4aR,4bS)-9-[2-[(3R)-3-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESC[C@@H]1CCC(C(C)(C)C2C3C=CC=C[C@H]3[C@H]3C=CC=CC23)C1
InChIInChI=1S/C22H30/c1-15-12-13-16(14-15)22(2,3)21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,15-21H,12-14H2,1-3H3/t15-,16?,17-,18+,19?,20?,21?/m1/s1
InChIKeyWIPFVMZZQNFNBP-AXPDYGELSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4aR,4bS)-9-[2-[(3R)-3-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The IUPAC name of (4aR,4bS)-9-[2-[(3R)-3-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (CID 59082182) is (4aR,4bS)-9-[2-[(3R)-3-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.
What is the SMILES notation for (4aR,4bS)-9-[2-[(3R)-3-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The canonical SMILES for (4aR,4bS)-9-[2-[(3R)-3-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is C[C@@H]1CCC(C(C)(C)C2C3C=CC=C[C@H]3[C@H]3C=CC=CC23)C1.
What is the InChIKey of (4aR,4bS)-9-[2-[(3R)-3-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The InChIKey is WIPFVMZZQNFNBP-AXPDYGELSA-N. The full InChI is InChI=1S/C22H30/c1-15-12-13-16(14-15)22(2,3)21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,15-21H,12-14H2,1-3H3/t15-,16?,17-,18+,19?,20?,21?/m1/s1.
What are the key properties of (4aR,4bS)-9-[2-[(3R)-3-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
(4aR,4bS)-9-[2-[(3R)-3-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene has a molecular weight of 294.48 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,4bS)-9-[2-[(3R)-3-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is sourced from PubChem (CID 59082182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).